{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.296292 0.070115 0.97296 ] [ 0.703708 0.929885 0.02704 ] [ 0.296292 0.429885 0.47296 ] [ 0.703708 0.570115 0.52704 ] [ 0.052197 0.939136 0.186608 ] [ 0.875732 0.890398 0.332855 ] [ 0.995596 0.48599 0.663206 ] [ 0.589318 0.790192 0.033177 ] [ 0.150535 0.181054 0.735859 ] [ 0.150535 0.318946 0.235859 ] [ 0.947803 0.060864 0.813392 ] [ 0.849465 0.818946 0.264141 ] [ 0.323371 0.288165 0.571843 ] [ 0.052197 0.560864 0.686608 ] [ 0.124268 0.109602 0.667145 ] [ 0.676629 0.788165 0.928157 ] [ 0.875732 0.609602 0.832855 ] [ 0.849465 0.681054 0.764141 ] [ 0.947803 0.439136 0.313392 ] [ 0.004404 0.51401 0.336794 ] [ 0.124268 0.390398 0.167145 ] [ 0.410682 0.290192 0.466823 ] [ 0.589318 0.709808 0.533177 ] [ 0.410682 0.209808 0.966823 ] [ 0.004404 0.98599 0.836794 ] [ 0.676629 0.711835 0.428157 ] [ 0.995596 0.01401 0.163206 ] [ 0.323371 0.211835 0.071843 ] [ 0.159164 0.331553 0.664255 ] [ 0.722382 0.060084 0.406479 ] [ 0.361619 0.959435 0.751036 ] [ 0.368367 0.917013 0.091616 ] [ 0.638381 0.459435 0.748964 ] [ 0.361619 0.540565 0.251036 ] [ 0.159164 0.168447 0.164255 ] [ 0.638381 0.040565 0.248964 ] [ 0.668893 0.147504 0.845245 ] [ 0.840836 0.831553 0.835745 ] [ 0.936758 0.836725 0.746767 ] [ 0.063242 0.336725 0.753233 ] [ 0.631633 0.417013 0.408384 ] [ 0.368367 0.582987 0.591616 ] [ 0.277618 0.560084 0.093521 ] [ 0.331107 0.647504 0.654755 ] [ 0.063242 0.163275 0.253233 ] [ 0.668893 0.352496 0.345245 ] [ 0.277618 0.939916 0.593521 ] [ 0.840836 0.668447 0.335745 ] [ 0.331107 0.852496 0.154755 ] [ 0.936758 0.663275 0.246767 ] [ 0.722382 0.439916 0.906479 ] [ 0.631633 0.082987 0.908384 ] [ 0.192996 0.144369 0.428008 ] [ 0.73394 0.352155 0.930257 ] [ 0.26606 0.852155 0.569743 ] [ 0.457991 0.654613 0.833472 ] [ 0.542009 0.154613 0.666528 ] [ 0.542009 0.345387 0.166528 ] [ 0.807004 0.644369 0.071992 ] [ 0.192996 0.355631 0.928008 ] [ 0.457991 0.845387 0.333472 ] [ 0.26606 0.647845 0.069743 ] [ 0.807004 0.855631 0.571992 ] [ 0.73394 0.147845 0.430257 ] [ 0.359098 0.316088 0.512077 ] [ 0.640902 0.816088 0.987923 ] [ 0.504555 0.437132 0.688034 ] [ 0.495445 0.562868 0.311966 ] [ 0.285407 0.503759 0.296112 ] [ 0.212947 0.22556 0.161521 ] [ 0.723675 0.034849 0.930934 ] [ 0.495445 0.937132 0.811966 ] [ 0.488003 0.913099 0.071116 ] [ 0.787053 0.77444 0.838479 ] [ 0.511997 0.086901 0.928884 ] [ 0.823989 0.885792 0.889262 ] [ 0.488003 0.586901 0.571116 ] [ 0.823989 0.614208 0.389262 ] [ 0.276325 0.965151 0.069066 ] [ 0.035353 0.467974 0.362984 ] [ 0.964647 0.532026 0.637016 ] [ 0.850316 0.866836 0.244759 ] [ 0.149684 0.133164 0.755241 ] [ 0.640902 0.683912 0.487923 ] [ 0.285407 0.996241 0.796112 ] [ 0.714593 0.003759 0.203888 ] [ 0.276325 0.534849 0.569066 ] [ 0.964647 0.967974 0.137016 ] [ 0.149684 0.366836 0.255241 ] [ 0.714593 0.496241 0.703888 ] [ 0.212947 0.27444 0.661521 ] [ 0.511997 0.413099 0.428884 ] [ 0.176011 0.385792 0.610738 ] [ 0.723675 0.465151 0.430934 ] [ 0.176011 0.114208 0.110738 ] [ 0.035353 0.032026 0.862984 ] [ 0.850316 0.633164 0.744759 ] [ 0.787053 0.72556 0.338479 ] [ 0.359098 0.183912 0.012077 ] [ 0.504555 0.062868 0.188034 ] [ 0.347333 0.797702 0.0834 ] [ 0.95317 0.114396 0.206506 ] [ 0.816493 0.148869 0.856765 ] [ 0.867655 0.465626 0.9649 ] [ 0.04683 0.614396 0.293494 ] [ 0.644822 0.467429 0.978075 ] [ 0.652667 0.202298 0.9166 ] [ 0.011944 0.721472 0.248681 ] [ 0.867655 0.034374 0.4649 ] [ 0.183507 0.648869 0.643235 ] [ 0.652667 0.297702 0.4166 ] [ 0.355178 0.532571 0.021925 ] [ 0.355178 0.967429 0.521925 ] [ 0.04683 0.885604 0.793494 ] [ 0.95317 0.385604 0.706506 ] [ 0.132345 0.534374 0.0351 ] [ 0.644822 0.032571 0.478075 ] [ 0.183507 0.851131 0.143235 ] [ 0.347333 0.702298 0.5834 ] [ 0.988056 0.221472 0.251319 ] [ 0.816493 0.351131 0.356765 ] [ 0.132345 0.965626 0.5351 ] [ 0.988056 0.278528 0.751319 ] [ 0.011944 0.778528 0.748681 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.57495098396 "source-unit" "angstrom" } "b" { "source-value" 20.0059987 "source-unit" "angstrom" } "c" { "source-value" 10.5277300411 "source-unit" "angstrom" } "beta" { "source-value" 114.487101017 "source-unit" "degree" } }